Molecule

ID:54146

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃N₂O₃
Molecular Mass
286.2066696
Exact Mass
286.05652682
Charge
0
InChI
InChI=1S/C12H9F3N2O3/c1-2-19-11(18)9-16-10(20-17-9)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2H2,1H3
InChIKey
AWNFFBSXOQQJMT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(n1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(C(=O)OCC)nc(on1)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4269416
LogD (pH = 7.4)
3.4269416
Log P
3.4269416
Molar Refractivity
74.1842
Polarizability
23.319777
Polar Surface Area
65.22
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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